SCHEMBL17700115

SCHEMBL17700115

FC(F)(F)CNc1ncccn1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
FDPS P14324 1/20 0.50
CDK4 P11802 1/20 0.43
CDK2 P24941 1/20 0.43
GPR39 O43194 1/20 0.40
HPGD P15428 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
IDH1 O75874 1/20 0.37
MAT2A P31153 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17700463 0.82 ALDH1A1 (0.50) ALDH1A1FDPSCDK4CDK2HPGD
SCHEMBL9278154 0.79 ACACB (0.36) ALDH1A1FDPSCDK4CDK2GPR39
SCHEMBL2564257 0.77 ALDH1A1 (0.62) ALDH1A1FDPSHPGDHDAC1HDAC8
SCHEMBL9278638 0.76 ALDH1A1 (0.54) ALDH1A1FDPSGPR39HPGDIDH1
SCHEMBL25683769 0.76 ACACB (0.40) FDPSCDK4CDK2HDAC1HDAC6
SCHEMBL19552131 0.76 NPC1 (0.42) FDPSCDK4CDK2HDAC1HDAC6
SCHEMBL91472 0.74 CDK4 (0.46) ALDH1A1CDK4CDK2
SCHEMBL1274368 0.74 CXCR4 (0.55) ALDH1A1FDPSHPGD
SCHEMBL29552506 0.74 CXCR4 (0.55) ALDH1A1FDPSHPGD
SCHEMBL2296005 0.73 ALDH1A1 (0.50) ALDH1A1FDPSHPGDIDH1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025884-A1 COMPOUNDS AS GCN2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF DONG-A ST CO., LTD. (KR) 2024-01-25 US claimed
EP-4267131-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR PARASITIC DISEASES CELGENE CORPORATION (US) 2023-11-01 EP claimed
WO-2022146920-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR PARASITIC DISEASES CELGENE CORPORATION (US) 2022-07-07 WO claimed
US-12240836-B2 Compounds as GCN2 inhibitors, pharmaceutical compositions and uses thereof DONG-A ST CO., LTD. (KR) 2025-03-04 US disclosed
US-20240025884-A1 COMPOUNDS AS GCN2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF DONG-A ST CO., LTD. (KR) 2024-01-25 US disclosed
EP-4267131-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR PARASITIC DISEASES CELGENE CORPORATION (US) 2023-11-01 EP disclosed
WO-2022146920-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR PARASITIC DISEASES CELGENE CORPORATION (US) 2022-07-07 WO disclosed
CN-109415321-B Aromatic sulfonamide derivatives 拜耳制药股份公司 2022-06-17 CN disclosed
EP-3031799-B1 AROMATIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-04-04 EP disclosed
US-9776962-B2 Aromatic compounds with GPR40 agonistic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-03 US disclosed
EP-3031799-A1 AROMATIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-06-15 EP disclosed
US-20160115128-A1 AROMATIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-04-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160115128-A1 AROMATIC COMPOUND GLP1R, GPR119, GPR39 ALDH1A1 3137/4885FDPS 3138/4885CDK4 2846/4885
US-12240836-B2 Compounds as GCN2 inhibitors, pharmaceutical compositions and uses thereof EIF2AK4, GCN1, GCGR ALDH1A1 3927/4885FDPS 985/4885CDK4 2367/4885
US-20240025884-A1 COMPOUNDS AS GCN2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF EIF2AK4, GCN1, GCGR ALDH1A1 3927/4885FDPS 985/4885CDK4 2367/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.